Direct Spectroscopic Observation of Fe(III)−Phenolate Complex Formed From the Reaction of Benzene With Peroxide Species on Fe/ZSM-5 At Room Temperature

The reaction of benzene with the active oxygen species was studied by UV−visible diffuse reflectance and Raman spectroscopies. For the first time, the intermediate Fe(III)−phenolate complex was evidenced by a UV−visible absorption band at 690 nm and the Raman bands at 643, 896, 990, 1149, 1228, 1475, 1580, and 1607 cm −1 . The Raman bands of the Fe(III)−phenolate complex were also confirmed by density functional theory calculations.